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1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-(1-NAPHTHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
SpectraBase Compound ID 4lryKD15SG9
InChI InChI=1S/C32H24F6N4O4/c33-31(34,35)29(45)17-25(23-13-5-9-19-7-1-3-11-21(19)23)39-41(29)27(43)15-16-28(44)42-30(46,32(36,37)38)18-26(40-42)24-14-6-10-20-8-2-4-12-22(20)24/h1-14,45-46H,15-18H2
InChIKey KESOYGXDYGQCIL-UHFFFAOYSA-N
Mol Weight 642.6 g/mol
Molecular Formula C32H24F6N4O4
Exact Mass 642.170174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2CYfEordu91
Name 1,4-BIS-[5-(TRIFLUOROMETHYL)-5-HYDROXY-3-(1-NAPHTHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-BUTANE-1,4-DIONE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H24F6N4O4
InChI InChI=1S/C32H24F6N4O4/c33-31(34,35)29(45)17-25(23-13-5-9-19-7-1-3-11-21(19)23)39-41(29)27(43)15-16-28(44)42-30(46,32(36,37)38)18-26(40-42)24-14-6-10-20-8-2-4-12-22(20)24/h1-14,45-46H,15-18H2
InChIKey KESOYGXDYGQCIL-UHFFFAOYSA-N
Literature Reference Author H.G.BONACORSO,C.A.CECHINEL,E.P.PITTALUGA,A.FERLA,L.M.F.PORTE ,M.A.P.MARTINS
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1656(2010)
Literature Reference DOI 10.1590/s0103-50532010000900009
Molecular Weight 642.557 g/mol
Source File Reference UWBT5966